N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1186 |
| Compound Name: | N-(2-methylphenyl)-5-{[(2-oxo-2-{[3-(pyrrolidin-1-yl)propyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C20 H27 N5 O2 S2 |
| Smiles: | Cc1ccccc1NC(c1nnc(CSCC(NCCCN2CCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.006 |
| logD: | -1.0845 |
| logSw: | -2.3442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.021 |
| InChI Key: | XZDKDWHEFGCRLP-UHFFFAOYSA-N |